N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyrazin-2-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

C94H126BClN14O17 — CID 163570715

About N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyrazin-2-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyrazin-2-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 163570715) has the molecular formula C94H126BClN14O17 and a molecular weight of 1770.39 g/mol. Its IUPAC name is N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyrazin-2-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyrazin-2-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
• PubChem CID: 163570715
• Molecular Formula: C94H126BClN14O17
• Molecular Weight: 1770.39 g/mol
• Exact Mass: 1768.92
• IUPAC Name: N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyrazin-2-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
• SMILES: CCC(=O)CCCCC[C@H](NC(=O)C1=NOC2(CCN(C)CC2)C1)c1ncc(-c2ccc(-c3cnccn3)cc2OC)o1.CCC(=O)CCCCC[C@H](NC(=O)C1=NOC2(CCN(C)CC2)C1)c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2OC)o1.CCC(=O)CCCCC[C@H](NC(=O)C1=NOC2(CCN(C)CC2)C1)c1ncc(-c2ccc(Cl)cc2OC)o1
• InChI: InChI=1S/C34H49BN4O7.C32H40N6O5.C28H37ClN4O5/c1-8-24(40)12-10-9-11-13-26(37-30(41)27-21-34(46-38-27)16-18-39(6)19-17-34)31-36-22-29(43-31)25-15-14-23(20-28(25)42-7)35-44-32(2,3)33(4,5)45-35;1-4-23(39)8-6-5-7-9-25(36-30(40)26-19-32(43-37-26)12-16-38(2)17-13-32)31-35-21-29(42-31)24-11-10-22(18-28(24)41-3)27-20-33-14-15-34-27;1-4-20(34)8-6-5-7-9-22(27-30-18-25(37-27)21-11-10-19(29)16-24(21)36-3)31-26(35)23-17-28(38-32-23)12-14-33(2)15-13-28/h14-15,20,22,26H,8-13,16-19,21H2,1-7H3,(H,37,41);10-11,14-15,18,20-21,25H,4-9,12-13,16-17,19H2,1-3H3,(H,36,40);10-11,16,18,22H,4-9,12-15,17H2,1-3H3,(H,31,35)/t26-;25-;22-/m000/s1
• InChIKey: FZBXYGWJYMTICB-ABOLDPGYSA-N
• XLogP: 15.44
• TPSA: 363.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 38
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1770.39
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyrazin-2-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The IUPAC name of N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyrazin-2-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 163570715) is N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyrazin-2-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.

What is the SMILES notation for N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyrazin-2-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The canonical SMILES for N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyrazin-2-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is CCC(=O)CCCCC[C@H](NC(=O)C1=NOC2(CCN(C)CC2)C1)c1ncc(-c2ccc(-c3cnccn3)cc2OC)o1.CCC(=O)CCCCC[C@H](NC(=O)C1=NOC2(CCN(C)CC2)C1)c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2OC)o1.CCC(=O)CCCCC[C@H](NC(=O)C1=NOC2(CCN(C)CC2)C1)c1ncc(-c2ccc(Cl)cc2OC)o1.

What is the InChIKey of N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyrazin-2-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The InChIKey is FZBXYGWJYMTICB-ABOLDPGYSA-N. The full InChI is InChI=1S/C34H49BN4O7.C32H40N6O5.C28H37ClN4O5/c1-8-24(40)12-10-9-11-13-26(37-30(41)27-21-34(46-38-27)16-18-39(6)19-17-34)31-36-22-29(43-31)25-15-14-23(20-28(25)42-7)35-44-32(2,3)33(4,5)45-35;1-4-23(39)8-6-5-7-9-25(36-30(40)26-19-32(43-37-26)12-16-38(2)17-13-32)31-35-21-29(42-31)24-11-10-22(18-28(24)41-3)27-20-33-14-15-34-27;1-4-20(34)8-6-5-7-9-22(27-30-18-25(37-27)21-11-10-19(29)16-24(21)36-3)31-26(35)23-17-28(38-32-23)12-14-33(2)15-13-28/h14-15,20,22,26H,8-13,16-19,21H2,1-7H3,(H,37,41);10-11,14-15,18,20-21,25H,4-9,12-13,16-17,19H2,1-3H3,(H,36,40);10-11,16,18,22H,4-9,12-15,17H2,1-3H3,(H,31,35)/t26-;25-;22-/m000/s1.

What are the key properties of N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyrazin-2-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?

N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyrazin-2-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 1770.39 g/mol, XLogP of 15.44, 38 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-(2-methoxy-4-pyrazin-2-ylphenyl)-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;N-[(1S)-1-[5-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]-8-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 163570715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).